2-[4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol

Systemtic Name: 2-[4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol Openeye Name: 2-[4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(3-thienylmethyl)piperazin-2-yl]ethanol CAS Name: 2-[4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(3-thiophenylmethyl)-2-piperazinyl]ethanol IUPAC Name: 2-[4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol Traditional Name: 2-[4-(benzofurazan-5-ylmethyl)-1-(3-thenyl)piperazin-2-yl]ethanol Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC3=NON=C3C=C2)CCO)CC4=CSC=C4

Isomeric SMILES

C1CN(C(CN1CC2=CC3=NON=C3C=C2)CCO)CC4=CSC=C4

InChI

InChI=1S/C18H22N4O2S/c23-7-3-16-12-21(5-6-22(16)11-15-4-8-25-13-15)10-14-1-2-17-18(9-14)20-24-19-17/h1-2,4,8-9,13,16,23H,3,5-7,10-12H2